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4-Methylbenzophenone

CAT: 0013-GTR19250923-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19250923-02Size:5 g
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Description
4-Methylbenzophenone
CAS Number
134-84-9
Purity
98.00% (May vary between batches)
Smiles
CC1=CC=C (C=C1) C (=O) C1=CC=CC=C1
Molecular Formula
C14H12O
Molecular Weight
196.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methylbenzophenone

structure in first source

CAS Number134-84-9
PubChem CID8652
IUPAC Name(4-methylphenyl)-phenylmethanone
Molecular FormulaC14H12O
Molecular Weight196.24
XLogP3.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity207
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
WXPWZZHELZEVPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylbenzophenone
CAS: 134-84-9
CID: 8652
Formula: C14H12O
MW: 196.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.24
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass196.088815002
Monoisotopic Mass196.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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